D532-0001 Screening compound: N-(4-acetylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D532-0001 Screening compound: N-(4-acetylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D532-0001 Screening compound: N-(4-acetylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D532-0001
N-(4-acetylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D532-0001

Molecular Formula

C21H22FN5O4S2 (C21 H22 FN5 O4 S2)

Compound Name

N-(4-acetylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(4-acetylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(CN(c(cc2)ccc2F)S(C)(=O)=O)n1C)=O)=O

InChI

InChI=1S/C21H22FN5O4S2/c1-14(28)15-4-8-17(9-5-15)23-20(29)13-32-21-25-24-19(26(21)2)12-27(33(3,30)31)18-10-6-16(22)7-11-18/h4-11H,12-13H2,1-3H3,(H,23,29)

InChI Key

XWPHXPOQOBVZHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.523

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-2.52

Polar Surface Area

94.592

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D532-0001 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with D532-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D532-0001?
Check Price and Availability of D532-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D532-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D532-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D532-0001
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D532-0001 available by request